General Information of the Compound
| Compound ID |
CP0151539
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| Compound Name |
(7-Chloro-quinolin-4-yl)-(4-piperidin-1-yl-butyl)-amine; Oxalic acid
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| Structure |
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| Formula |
C18H24ClN3
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| Molecular Weight |
317.864
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| Canonical SMILES |
Clc1ccc2c(NCCCCN3CCCCC3)ccnc2c1
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| InChI |
InChI=1S/C18H24ClN3/c19-15-6-7-16-17(8-10-21-18(16)14-15)20-9-2-5-13-22-11-3-1-4-12-22/h6-8,10,14H,1-5,9,11-13H2,(H,20,21)
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| InChIKey |
BVJHQKCCYXTXLO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound